- InChI
- InChI=1S/C25H35F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42-18(41)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h2-17H2,1H3
- InChI Key
- KVHZMXPZBUEMSI-UHFFFAOYSA-N
- Formula
- C25H35F15O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(F)(F)
C(F)(F)C(F)(F)C(F)(F)C(F)(F)C( F)(F)C(F)(F)F - Molecular Weight1
- 652.52
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -2976.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3807.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.07 | kJ/mol | Joback Calculated Property |
| log10WS | -11.70 | Crippen Calculated Property | |
| logPoct/wat | 10.775 | Crippen Calculated Property | |
| McVol | 397.100 | ml/mol | McGowan Calculated Property |
| Pc | 590.84 | kPa | Joback Calculated Property |
| Inp | 2088.00 | NIST | |
| Tboil | 814.13 | K | Joback Calculated Property |
| Tc | 1009.63 | K | Joback Calculated Property |
| Tfus | 469.46 | K | Joback Calculated Property |
| Vc | 1.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1333.66; 1437.41] | J/mol×K | [814.13; 1009.63] | 
|
| Cp,gas | 1333.66 | J/mol×K | 814.13 | Joback Calculated Property |
| Cp,gas | 1353.56 | J/mol×K | 846.71 | Joback Calculated Property |
| Cp,gas | 1372.20 | J/mol×K | 879.30 | Joback Calculated Property |
| Cp,gas | 1389.74 | J/mol×K | 911.88 | Joback Calculated Property |
| Cp,gas | 1406.34 | J/mol×K | 944.47 | Joback Calculated Property |
| Cp,gas | 1422.17 | J/mol×K | 977.05 | Joback Calculated Property |
| Cp,gas | 1437.41 | J/mol×K | 1009.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, heptadecyl ester.
Sources
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